N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C19H18ClFN4O3S MolecularWeight: 436.887623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClFN4O3S/c20-14-11-13(5-6-15(14)21)22-19(29)23-18(26)12-4-7-16(17(10-12)25(27)28)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H2,22,23,26,29)